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Naphtho[1,2-c]furan-3(1H)-one, 5-(benzoyloxy)decahydro-9-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-, [3aR-(3a.alpha.,5.alpha.,5a.beta.,6.beta.,9.alpha.,9a.alpha.,9b.beta.)]-
SpectraBase Compound ID GOeyjjFHePh
InChI InChI=1S/C22H28O6/c1-21(12-23)9-8-17(24)22(2)15-11-27-20(26)14(15)10-16(18(21)22)28-19(25)13-6-4-3-5-7-13/h3-7,14-18,23-24H,8-12H2,1-2H3/t14-,15+,16-,17-,18+,21-,22+/m1/s1
InChIKey JFDJCTFKYXUXCK-XXEBTHIASA-N
Mol Weight 388.46 g/mol
Molecular Formula C22H28O6
Exact Mass 388.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lpd1dowETWY
Name Naphtho[1,2-c]furan-3(1H)-one, 5-(benzoyloxy)decahydro-9-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-, [3aR-(3a.alpha.,5.alpha.,5a.beta.,6.beta.,9.alpha.,9a.alpha.,9b.beta.)]-
CAS Registry Number 79236-01-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O6
InChI InChI=1S/C22H28O6/c1-21(12-23)9-8-17(24)22(2)15-11-27-20(26)14(15)10-16(18(21)22)28-19(25)13-6-4-3-5-7-13/h3-7,14-18,23-24H,8-12H2,1-2H3/t14-,15+,16-,17-,18+,21-,22+/m1/s1
InChIKey JFDJCTFKYXUXCK-XXEBTHIASA-N
Molecular Weight 388.460 g/mol
SMILES OC[C@@]1([C@@]2([C@@](C[C@@]3([C@@]([C@]2([C@@](CC1)(O)[H])C)(COC3=O)[H])[H])(OC(=O)c1ccccc1)[H])[H])C
SPLASH splash10-0a4i-0970000000-44af2ab92c2b3708b0bb
Source of Spectrum F-37-652-0
Synonyms (3aR,5R,5aS,6S,9R,9aR,9bS)-9-hydroxy-6-(hydroxymethyl)-6,9a-dimethyl-3-oxododecahydronaphtho[1,2-c]furan-5-yl benzoate Isodesacetylpebrolide
Wiley ID 1363855